N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

C21H32N4O — CID 122564074

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCC3CCN(C4CC4)C3)CC2)c1C
InChIInChI=1S/C21H32N4O/c1-16-4-3-5-20(17(16)2)23-10-12-24(13-11-23)21(26)22-14-18-8-9-25(15-18)19-6-7-19/h3-5,18-19H,6-15H2,1-2H3,(H,22,26)
InChIKeyJRVFKQYAMFHGNF-UHFFFAOYSA-N
MW356.51 g/mol
LogP2.62
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 122564074) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
PubChem CID122564074
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCC3CCN(C4CC4)C3)CC2)c1C
InChIInChI=1S/C21H32N4O/c1-16-4-3-5-20(17(16)2)23-10-12-24(13-11-23)21(26)22-14-18-8-9-25(15-18)19-6-7-19/h3-5,18-19H,6-15H2,1-2H3,(H,22,26)
InChIKeyJRVFKQYAMFHGNF-UHFFFAOYSA-N
XLogP2.62
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
N-[[1-[1-(2,3-dimethylphenyl)piperidin-4-yl]pyrrolidin-3-yl]methyl]-2-hydroxyacetamide
CID 56708001
4-(2,3-dimethylphenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111238576
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 110687151
4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893074
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 9155543
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 129370880
4-(2,3-dimethylphenyl)-N'-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111238595

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (CID 122564074) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)NCC3CCN(C4CC4)C3)CC2)c1C.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is JRVFKQYAMFHGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-16-4-3-5-20(17(16)2)23-10-12-24(13-11-23)21(26)22-14-18-8-9-25(15-18)19-6-7-19/h3-5,18-19H,6-15H2,1-2H3,(H,22,26).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122564074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).